N118-0112 Screening compound: N-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)-N'-phenethylurea

N118-0112 Screening compound: N-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)-N'-phenethylurea
N118-0112 Screening compound: N-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)-N'-phenethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound N118-0112
N-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)-N'-phenethylurea

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

N118-0112

Molecular Formula

C26H37N5O3 (C26 H37 N5 O3)

Compound Name

N-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)-N'-phenethylurea

IUPAC name

3-{1-[(1R2R9S)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]tridecane-11-carbonyl]piperidin-4-yl}-1-(2-phenylethyl)urea

SMILES

O=C(NCCc1ccccc1)NC(CC1)CCN1C(N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)=O

InChI

InChI=1S/C26H37N5O3/c32-24-8-4-7-23-21-15-20(17-31(23)24)16-30(18-21)26(34)29-13-10-22(11-14-29)28-25(33)27-12-9-19-5-2-1-3-6-19/h1-3,5-6,20-23H,4,7-18H2,(H2,27,28,33)/t20-,21+,23+/m0/s1

InChI Key

XAYYVMDQOGDESA-QZNHQXDQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.812

Distribution Coefficient, logD

1.812

Water Solubility, LogSw

-1.98

Polar Surface Area

69.248

Acid Dissociation Constant (pKa)

16.12

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

65.39

N118-0112 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with N118-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N118-0112?
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What is the minimum amount of N118-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N118-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N118-0112
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of N118-0112 available by request